[2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium

C15H20Cl2N3O2+ — CID 9053319

IUPAC[2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium
SMILESC[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+](C)CC(=O)NC1CC1
InChIInChI=1S/C15H19Cl2N3O2/c1-9(20(2)8-14(21)18-11-4-5-11)15(22)19-13-7-10(16)3-6-12(13)17/h3,6-7,9,11H,4-5,8H2,1-2H3,(H,18,21)(H,19,22)/p+1/t9-/m0/s1
InChIKeyNTPPXIVKCHAWMQ-VIFPVBQESA-O
MW345.25 g/mol
LogP1.11
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium

[2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium (PubChem CID 9053319) has the molecular formula C15H20Cl2N3O2+ and a molecular weight of 345.25 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium
PubChem CID9053319
Molecular FormulaC15H20Cl2N3O2+
Molecular Weight345.25 g/mol
Exact Mass344.09
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium
SMILESC[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+](C)CC(=O)NC1CC1
InChIInChI=1S/C15H19Cl2N3O2/c1-9(20(2)8-14(21)18-11-4-5-11)15(22)19-13-7-10(16)3-6-12(13)17/h3,6-7,9,11H,4-5,8H2,1-2H3,(H,18,21)(H,19,22)/p+1/t9-/m0/s1
InChIKeyNTPPXIVKCHAWMQ-VIFPVBQESA-O
XLogP1.11
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 8908981
[2-(2-chloroanilino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium
CID 2689165
[2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9053228
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
CID 8517835
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
CID 8559559
N-cyclopropyl-2-(2,5-dichloroanilino)propanamide
CID 43083853
[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 9053407
[2-(cyclopropylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfanylethyl]-methylazanium
CID 8909551
1-(2,5-dichlorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 47090143
1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576
[2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]-methylazanium
CID 9053504
[2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-methylazanium
CID 9053661

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium (CID 9053319) is [2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium is C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+](C)CC(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium?
The InChIKey is NTPPXIVKCHAWMQ-VIFPVBQESA-O. The full InChI is InChI=1S/C15H19Cl2N3O2/c1-9(20(2)8-14(21)18-11-4-5-11)15(22)19-13-7-10(16)3-6-12(13)17/h3,6-7,9,11H,4-5,8H2,1-2H3,(H,18,21)(H,19,22)/p+1/t9-/m0/s1.
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium?
[2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium has a molecular weight of 345.25 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium is sourced from PubChem (CID 9053319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).